CFam Chemical Families Database
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You are searching for "CFAMM00065560" in compound.

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CFAM Mol ID CFAMM00065560
Family CFFAD452 Cyclooxygenase Inhibitor Indomethacin Family
Superfamily CFSAD391 Cyclooxygenase Inhibitor Indomethacin Superfamily
Class CFCAD97 Class 97
External ID CHEMBL21062 External Source CHEMBL
PubChem CID 44274181 Functional Category Bioactive
Molecule Name AGN-PC-0749NO
IUPAC Name 3-[2-(4-chlorophenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
Synonyms CHEBI:125946;3-[2-(4-chlorophenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
InChi InChI=1S/C29H27ClF3N3O3/c1-38-26-5-3-2-4-25(26)35-14-16-36(17-15-35)27(37)13-11-22-23-18-21(39-29(31,32)33)10-12-24(23)34-28(22)19-6-8-20(30)9-7-19/h2-10,12,18,34H,11,13-17H2,1H3
InChiKey INYRSRVWJHHQCB-UHFFFAOYSA-N
Formula C29H27ClF3N3O3 Molecular Weight 557.99
Cross Link CHEMBL21062
Structure

Statistics of CFAM Database

 
CFAM currently contains 490,279 molecules in 87,136 families, 34,880 superfamilies and 11,643 classes.
 

How to cite our database

 
C. Zhang, L. Tao, C. Qin, P. Zhang, S.Y. Chen, X. Zeng, F. Xu, Z. Chen, S.Y. Yang and Y.Z. CFam: A Chemical Families Database Based on Iterative Selection of Functional Seeds and Seed-Directed Compound Clustering. Nucl. Acids Res. 43 (D1): D558-D565 (2015) (First published online: November 20, 2014).
 

Last update by

 
2014.08.29
 

 

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Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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